5-methyl-2-methylsulfanyl-7-piperazin-1-yl-3-pyridin-3-ylsulfonyl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5-methyl-2-methylsulfanyl-7-piperazin-1-yl-3-pyridin-3-ylsulfonyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 5-methyl-2-methylsulfanyl-7-piperazin-1-yl-3-(3-pyridylsulfonyl)pyrazolo[1,5-a]pyrimidine CAS Name: 5-methyl-2-(methylthio)-7-(1-piperazinyl)-3-(3-pyridinylsulfonyl)pyrazolo[1,5-a]pyrimidine IUPAC Name: 5-methyl-2-methylsulfanyl-7-piperazin-1-yl-3-pyridin-3-ylsulfonylpyrazolo[1,5-a]pyrimidine Traditional Name: 5-methyl-2-(methylthio)-7-piperazino-3-(3-pyridylsulfonyl)pyrazolo[1,5-a]pyrimidine Formula: C17H20N6O2S2 MolecularWeight: 404.5097

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=NN2C(=C1)N3CCNCC3)SC)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

CC1=NC2=C(C(=NN2C(=C1)N3CCNCC3)SC)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C17H20N6O2S2/c1-12-10-14(22-8-6-18-7-9-22)23-16(20-12)15(17(21-23)26-2)27(24,25)13-4-3-5-19-11-13/h3-5,10-11,18H,6-9H2,1-2H3